NMR software | 名称 | バージョン | 開発者 | 分類 |
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VnmrJ | 2.3AVariancollection NMRPipe | | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax解析 | NMRView | 5.3 | Johnson, One Moon Scientificデータ解析 | NMRView | 5.3 | Johnson, One Moon Scientificpeak pickingNMRView | 5.3 | Johnson, One Moon Scientificchemical shift assignmentARIA | 2.2 | Linge, O'Donoghue and Nilgesautomated noe assignmentARIA | 2.2 | Linge, O'Donoghue and Nilges構造決定 | CNS | 1.2 | Brunger, Adams, Clore, Gros, Nilges and Read構造決定 | CNS | 1.2 | Brunger, Adams, Clore, Gros, Nilges and Read精密化 | TALOS | | Cornilescu, Delaglio and Baxdihedral constraintsProcheck | 3.5.4Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thostructure analysisWhatCheck | | Vriendstructure analysisMOLMOL | 2K.2Koradi, Billeter and Wuthrichデータ解析 | | | | | | | | | | | | | | | | | | | | | | | |
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精密化 | 手法: simulated annealing, torsion angle dynamics / ソフトェア番号: 1 |
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NMR constraints | NOE constraints total: 959 / NOE intraresidue total count: 380 / NOE long range total count: 220 / NOE medium range total count: 157 / NOE sequential total count: 202 / Hydrogen bond constraints total count: 19 / Protein phi angle constraints total count: 40 / Protein psi angle constraints total count: 37 |
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代表構造 | 選択基準: lowest energy |
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NMRアンサンブル | コンフォーマー選択の基準: structures with the lowest energy 計算したコンフォーマーの数: 150 / 登録したコンフォーマーの数: 10 |
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NMR ensemble rms | Distance rms dev: 0.0194 Å / Distance rms dev error: 0.0037 Å |
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